SCHEMBL28660936

SCHEMBL28660936

CNc1ncc(S(=O)(=O)c2cc(-c3cnn(C)c3)cc(C(F)(F)F)c2)s1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 19/20 0.71
AOC3 Q16853 3/20 0.52
KCNH2 Q12809 2/20 0.52
MAOA P21397 1/20 0.52
LOXL3 P58215 2/20 0.51
LOX P28300 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19259918 0.83 LOXL2 (1.00) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL28652340 0.81 LOXL2 (0.69) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL19259647 0.80 LOXL2 (0.74) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL28663671 0.78 LOXL2 (0.75) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL29971590 0.77 LOXL2 (0.68) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL28927244 0.73 LOXL2 (0.71) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL13942073 0.71 LOXL2 (0.51) LOXL2KCNH2
SCHEMBL17794793 0.69 LOXL2 (0.47) LOXL2KCNH2
SCHEMBL19274645 0.69 LOXL2 (1.00) LOXL2AOC3KCNH2MAOALOXL3
SCHEMBL28638918 0.68 LOX (0.69) LOXL2AOC3KCNH2MAOALOXL3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed